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Home > Pyridines > 2093718-99-9
2093718-99-9 | 3-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)piperidine dihydrochloride
CAS No: 2093718-99-9 Catalog No: AG01EA7G MDL No:MFCD30730428
Product Description
Catalog Number:
AG01EA7G
Chemical Name:
3-({[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)piperidine dihydrochloride
CAS Number:
2093718-99-9
Molecular Formula:
C12H18Cl2N4
Molecular Weight:
289.2041
MDL Number:
MFCD30730428
IUPAC Name:
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
InChI:
InChI=1S/C12H16N4.2ClH/c1-2-7-16-11(5-1)14-15-12(16)8-10-4-3-6-13-9-10;;/h1-2,5,7,10,13H,3-4,6,8-9H2;2*1H
InChI Key:
OADNGJLWSFLSMU-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)Cc1nnc2n1cccc2.Cl.Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.204g/mol
Monoisotopic Mass:
288.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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